CID 57416302

(3-amino-2-methylphenyl)boronic acid hydrochloride

Structural Information

Molecular Formula
C7H10BNO2
SMILES
B(C1=C(C(=CC=C1)N)C)(O)O
InChI
InChI=1S/C7H10BNO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,9H2,1H3
InChIKey
JDTIGLTXSGPNFH-UHFFFAOYSA-N
Compound name
(3-amino-2-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

151.08046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08774 129.6
[M+Na]+ 174.06968 140.6
[M+NH4]+ 169.11428 137.3
[M+K]+ 190.04362 136.3
[M-H]- 150.07318 130.9
[M+Na-2H]- 172.05513 134.9
[M]+ 151.07991 131.2
[M]- 151.08101 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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